HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 4839Erstellt: 31. Oktober 2026
Piperidolat
jb305 · Dactil · JB 305 · AN 1087 · 1087a.n. · Aids001631 · Aids-001631 · PIPERIDOLATE
https://huagongshe.com/de/chemical/4839
Identifikatoren & physikalische Daten
| CAS No. | 82-98-4 |
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| Summenformel | C21H25NO2 |
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| Durchschnittliche Molmasse | 323,4 g/mol |
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| Monoisotopische Masse | 323,18852904 g/mol |
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| SMILES | CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1 |
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| InChIKey | KTHVBAZBLKXIHZ-UHFFFAOYSA-N |
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| PubChem CID | 4839 |
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| ChEMBL | CHEMBL1623992 |
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| ChEBI | CHEBI:91986 |
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| EC No. | 201-449-7 |
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| DTXSID | DTXSID7048164 |
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| Lokaler Name | Piperidolat |
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Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
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| Polarare Oberfläche (TPSA) | 29,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 24 |
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| Formalladung | 0 |
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| Komplexität | 367 |
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| Human Drugs | Pharmaceuticals |
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| Collision Cross Section | 178.33 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
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| Schmelzpunkt | <25 °C |
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| Siedepunkt | bp0.18 191-192° |
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| Dichte | 1.11±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Store at -20°C |
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| Löslichkeit | DMSO : ≥ 150 mg/mL (463.78 mM) |
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| pKa (Säurekonstante) | 7.97±0.10(Predicted) |
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| Aggregatzustand | Liquid |
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| Farbe | Colorless to light yellow |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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| R-Sätze (R) | 23/24/25 |
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| Toxizität | LD50 intravenous in guinea pig: 16mg/kg |
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| Gefahrensymbole | T |
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| Sicherheitshinweise (S) | 36/37/39-45 |
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